Behavior of Li guest in KNb5O13 host with one-dimensional tunnels and multiple interstitial sites

Yuhao Lu, John B. Goodenough, Gopi Krishna Phani Dathar, Graeme Henkelman, Jing Wu, Keith Stevenson

Research output: Contribution to journalArticlepeer-review

17 Citations (Scopus)

Abstract

Potassium niobium oxide (KNb5O13) exhibits multiple unoccupied interstitial sites in its crystal structure. In a lithiation/delithiation process, ∼3.5 Li+ ions can be inserted/extracted into/from these sites above 1.0 V vs Li/Li+. Although there are two-dimensional tunnels in KNb5O13, the experiment demonstrates that only a-axis tunnels have access to the electrolyte for the lithiation/delithiation process. The one-dimensional tunnels connect to multiple off-axis sites (4c, 4d, and 8e), which results in a polarization hysteresis in the potential profile of the lithiation/delithiation process. Using experimental and calculation methods, the study explains the polarization hysteresis with a proposed lithiation/delithiation process in KNb 5O13.

Original languageEnglish
Pages (from-to)3210-3216
Number of pages7
JournalChemistry of Materials
Volume23
Issue number13
DOIs
Publication statusPublished - 12 Jul 2011
Externally publishedYes

Keywords

  • lithiation/delithiation hysteresis
  • Niobate anode
  • oxide Li host

Fingerprint

Dive into the research topics of 'Behavior of Li guest in KNb5O13 host with one-dimensional tunnels and multiple interstitial sites'. Together they form a unique fingerprint.

Cite this